Geometry & MOs

Info

ID:	347024
PubChem CID:	127271528
Reduced:	ClO2N4C18H27 (1)
Stoich.:	AB2C4D18E27 (1)
Weight, g/mol:	367.190734
ΔH_f, kcal/mol:	-76.18
Dipole, Da:	3.19
IP(EA), eV:	-8.08(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CN1CCCC1CNC(=O)NC2CCN(C2)C3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations